USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -28:sc= 1.16 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 21 SER OG : rot 56:sc= 1.1 USER MOD Single : A 34 THR OG1 : rot 24:sc= 0.189 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.13) USER MOD Single : A 42 MET CE :methyl 150:sc= -2.64 (180deg=-5.94!) USER MOD Single : A 46 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.47) USER MOD Single : B 5 THR OG1 : rot -31:sc= 0.649 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot -127:sc= 1.28 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 THR OG1 : rot -160:sc= -1.31 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 130:sc= 1.3 (180deg=-0.284) USER MOD Single : B 42 MET CE :methyl 148:sc= -2.23 (180deg=-5.29!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -6.979 0.198 -10.507 1.00 3.14 N ATOM 73 CA THR A 5 -6.935 0.347 -9.077 1.00 3.01 C ATOM 74 C THR A 5 -8.350 0.176 -8.609 1.00 2.85 C ATOM 75 O THR A 5 -9.274 0.239 -9.420 1.00 2.89 O ATOM 76 CB THR A 5 -6.401 1.722 -8.630 1.00 3.29 C ATOM 77 OG1 THR A 5 -7.134 2.776 -9.269 1.00 3.55 O ATOM 78 CG2 THR A 5 -4.921 1.859 -8.940 1.00 3.52 C ATOM 0 HA THR A 5 -6.252 -0.387 -8.650 1.00 3.01 H new ATOM 0 HB THR A 5 -6.536 1.799 -7.551 1.00 3.29 H new ATOM 0 HG1 THR A 5 -7.472 2.462 -10.133 1.00 3.55 H new ATOM 0 HG21 THR A 5 -4.570 2.838 -8.614 1.00 3.52 H new ATOM 0 HG22 THR A 5 -4.366 1.082 -8.415 1.00 3.52 H new ATOM 0 HG23 THR A 5 -4.763 1.756 -10.014 1.00 3.52 H new ATOM 86 N LEU A 6 -8.547 -0.065 -7.340 1.00 2.72 N ATOM 87 CA LEU A 6 -9.898 -0.226 -6.850 1.00 2.62 C ATOM 88 C LEU A 6 -10.730 1.029 -7.119 1.00 2.85 C ATOM 89 O LEU A 6 -11.953 0.973 -7.191 1.00 2.79 O ATOM 90 CB LEU A 6 -9.894 -0.605 -5.387 1.00 2.55 C ATOM 91 CG LEU A 6 -10.335 -2.032 -5.124 1.00 2.31 C ATOM 92 CD1 LEU A 6 -10.588 -2.254 -3.644 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.575 -2.355 -5.947 1.00 2.25 C ATOM 0 H LEU A 6 -7.812 -0.153 -6.638 1.00 2.72 H new ATOM 0 HA LEU A 6 -10.370 -1.044 -7.394 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -8.889 -0.465 -4.988 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -10.550 0.074 -4.843 1.00 2.55 H new ATOM 0 HG LEU A 6 -9.535 -2.707 -5.427 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -10.903 -3.284 -3.479 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -9.672 -2.061 -3.085 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -11.371 -1.576 -3.303 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -11.884 -3.382 -5.751 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -12.381 -1.675 -5.673 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.348 -2.240 -7.007 1.00 2.25 H new ATOM 105 N TYR A 7 -10.037 2.149 -7.288 1.00 3.13 N ATOM 106 CA TYR A 7 -10.674 3.435 -7.590 1.00 3.41 C ATOM 107 C TYR A 7 -11.344 3.383 -8.962 1.00 3.42 C ATOM 108 O TYR A 7 -12.433 3.919 -9.168 1.00 3.50 O ATOM 109 CB TYR A 7 -9.640 4.563 -7.600 1.00 3.74 C ATOM 110 CG TYR A 7 -9.264 5.099 -6.240 1.00 3.86 C ATOM 111 CD1 TYR A 7 -10.197 5.742 -5.434 1.00 3.98 C ATOM 112 CD2 TYR A 7 -7.962 4.982 -5.774 1.00 3.89 C ATOM 113 CE1 TYR A 7 -9.839 6.250 -4.202 1.00 4.16 C ATOM 114 CE2 TYR A 7 -7.598 5.491 -4.545 1.00 4.04 C ATOM 115 CZ TYR A 7 -8.540 6.124 -3.763 1.00 4.20 C ATOM 116 OH TYR A 7 -8.180 6.634 -2.538 1.00 4.39 O ATOM 0 H TYR A 7 -9.020 2.196 -7.221 1.00 3.13 H new ATOM 0 HA TYR A 7 -11.417 3.627 -6.816 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -8.737 4.203 -8.094 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -10.027 5.384 -8.203 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -11.216 5.845 -5.777 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -7.222 4.484 -6.383 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -10.575 6.744 -3.585 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -6.580 5.394 -4.197 1.00 4.04 H new ATOM 0 HH TYR A 7 -7.229 6.461 -2.378 1.00 4.39 H new ATOM 126 N ASP A 8 -10.667 2.706 -9.877 1.00 3.37 N ATOM 127 CA ASP A 8 -11.107 2.559 -11.260 1.00 3.45 C ATOM 128 C ASP A 8 -12.381 1.754 -11.306 1.00 3.21 C ATOM 129 O ASP A 8 -13.339 2.115 -11.989 1.00 3.31 O ATOM 130 CB ASP A 8 -10.021 1.861 -12.093 1.00 3.49 C ATOM 131 CG ASP A 8 -8.798 2.723 -12.354 1.00 3.79 C ATOM 132 OD1 ASP A 8 -8.910 3.692 -13.132 1.00 4.13 O ATOM 133 OD2 ASP A 8 -7.731 2.465 -11.762 1.00 3.72 O ATOM 0 H ASP A 8 -9.784 2.236 -9.679 1.00 3.37 H new ATOM 0 HA ASP A 8 -11.289 3.549 -11.679 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -9.710 0.952 -11.578 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -10.449 1.556 -13.048 1.00 3.49 H new ATOM 138 N VAL A 9 -12.388 0.666 -10.552 1.00 2.91 N ATOM 139 CA VAL A 9 -13.531 -0.206 -10.498 1.00 2.70 C ATOM 140 C VAL A 9 -14.671 0.511 -9.814 1.00 2.72 C ATOM 141 O VAL A 9 -15.813 0.440 -10.237 1.00 2.70 O ATOM 142 CB VAL A 9 -13.189 -1.491 -9.737 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.407 -2.368 -9.594 1.00 2.28 C ATOM 144 CG2 VAL A 9 -12.070 -2.244 -10.433 1.00 2.45 C ATOM 0 H VAL A 9 -11.605 0.372 -9.968 1.00 2.91 H new ATOM 0 HA VAL A 9 -13.824 -0.475 -11.513 1.00 2.70 H new ATOM 0 HB VAL A 9 -12.848 -1.214 -8.739 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -14.141 -3.275 -9.051 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -15.180 -1.830 -9.046 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -14.782 -2.634 -10.582 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -11.842 -3.153 -9.877 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -12.382 -2.506 -11.444 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -11.181 -1.615 -10.479 1.00 2.45 H new ATOM 154 N ALA A 10 -14.323 1.215 -8.755 1.00 2.80 N ATOM 155 CA ALA A 10 -15.288 1.971 -7.970 1.00 2.91 C ATOM 156 C ALA A 10 -16.031 2.983 -8.831 1.00 3.14 C ATOM 157 O ALA A 10 -17.262 3.055 -8.798 1.00 3.12 O ATOM 158 CB ALA A 10 -14.560 2.659 -6.832 1.00 3.09 C ATOM 0 H ALA A 10 -13.365 1.281 -8.412 1.00 2.80 H new ATOM 0 HA ALA A 10 -16.035 1.288 -7.566 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -15.273 3.229 -6.236 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -14.078 1.910 -6.203 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -13.805 3.333 -7.237 1.00 3.09 H new ATOM 164 N GLU A 11 -15.289 3.723 -9.637 1.00 3.37 N ATOM 165 CA GLU A 11 -15.891 4.731 -10.499 1.00 3.64 C ATOM 166 C GLU A 11 -16.724 4.053 -11.573 1.00 3.52 C ATOM 167 O GLU A 11 -17.878 4.413 -11.799 1.00 3.57 O ATOM 168 CB GLU A 11 -14.836 5.650 -11.126 1.00 3.95 C ATOM 169 CG GLU A 11 -14.589 6.924 -10.327 1.00 4.31 C ATOM 170 CD GLU A 11 -14.263 8.125 -11.201 1.00 4.89 C ATOM 171 OE1 GLU A 11 -15.048 8.428 -12.125 1.00 5.24 O ATOM 172 OE2 GLU A 11 -13.223 8.782 -10.957 1.00 5.23 O ATOM 0 H GLU A 11 -14.275 3.647 -9.714 1.00 3.37 H new ATOM 0 HA GLU A 11 -16.537 5.360 -9.887 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -13.898 5.102 -11.221 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -15.152 5.918 -12.134 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -15.472 7.147 -9.729 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -13.767 6.755 -9.631 1.00 4.31 H new ATOM 179 N TYR A 12 -16.125 3.070 -12.228 1.00 3.40 N ATOM 180 CA TYR A 12 -16.793 2.318 -13.279 1.00 3.35 C ATOM 181 C TYR A 12 -18.034 1.598 -12.750 1.00 3.08 C ATOM 182 O TYR A 12 -18.986 1.361 -13.495 1.00 3.11 O ATOM 183 CB TYR A 12 -15.829 1.296 -13.879 1.00 3.31 C ATOM 184 CG TYR A 12 -16.387 0.554 -15.070 1.00 3.39 C ATOM 185 CD1 TYR A 12 -16.724 1.241 -16.222 1.00 3.70 C ATOM 186 CD2 TYR A 12 -16.574 -0.821 -15.045 1.00 3.19 C ATOM 187 CE1 TYR A 12 -17.235 0.590 -17.319 1.00 3.82 C ATOM 188 CE2 TYR A 12 -17.083 -1.487 -16.143 1.00 3.34 C ATOM 189 CZ TYR A 12 -17.407 -0.841 -17.243 1.00 3.64 C ATOM 190 OH TYR A 12 -17.921 -1.440 -18.375 1.00 3.82 O ATOM 0 H TYR A 12 -15.166 2.772 -12.047 1.00 3.40 H new ATOM 0 HA TYR A 12 -17.109 3.025 -14.046 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -14.913 1.807 -14.178 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -15.555 0.574 -13.110 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -16.583 2.311 -16.260 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -16.318 -1.378 -14.155 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -17.501 1.134 -18.213 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -17.218 -2.558 -16.098 1.00 3.34 H new ATOM 0 HH TYR A 12 -17.652 -0.928 -19.166 1.00 3.82 H new ATOM 200 N ALA A 13 -18.032 1.261 -11.463 1.00 2.87 N ATOM 201 CA ALA A 13 -19.160 0.557 -10.874 1.00 2.66 C ATOM 202 C ALA A 13 -20.229 1.556 -10.476 1.00 2.78 C ATOM 203 O ALA A 13 -21.420 1.249 -10.438 1.00 2.70 O ATOM 204 CB ALA A 13 -18.709 -0.212 -9.656 1.00 2.47 C ATOM 0 H ALA A 13 -17.269 1.463 -10.817 1.00 2.87 H new ATOM 0 HA ALA A 13 -19.567 -0.141 -11.606 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -19.560 -0.736 -9.221 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -17.946 -0.935 -9.944 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -18.295 0.479 -8.922 1.00 2.47 H new ATOM 210 N GLY A 14 -19.775 2.762 -10.179 1.00 3.02 N ATOM 211 CA GLY A 14 -20.666 3.827 -9.802 1.00 3.22 C ATOM 212 C GLY A 14 -20.915 3.820 -8.325 1.00 3.21 C ATOM 213 O GLY A 14 -22.021 4.097 -7.858 1.00 3.28 O ATOM 0 H GLY A 14 -18.789 3.021 -10.194 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -20.239 4.785 -10.098 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -21.611 3.721 -10.334 1.00 3.22 H new ATOM 217 N VAL A 15 -19.878 3.458 -7.598 1.00 3.16 N ATOM 218 CA VAL A 15 -19.928 3.363 -6.150 1.00 3.22 C ATOM 219 C VAL A 15 -18.650 3.904 -5.547 1.00 3.39 C ATOM 220 O VAL A 15 -17.592 3.802 -6.162 1.00 3.33 O ATOM 221 CB VAL A 15 -20.117 1.915 -5.709 1.00 2.96 C ATOM 222 CG1 VAL A 15 -21.536 1.468 -5.949 1.00 2.89 C ATOM 223 CG2 VAL A 15 -19.161 1.039 -6.469 1.00 2.72 C ATOM 0 H VAL A 15 -18.970 3.219 -7.996 1.00 3.16 H new ATOM 0 HA VAL A 15 -20.776 3.954 -5.802 1.00 3.22 H new ATOM 0 HB VAL A 15 -19.914 1.837 -4.641 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -21.651 0.433 -5.628 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -22.218 2.101 -5.382 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -21.767 1.546 -7.011 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -19.291 0.003 -6.158 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -19.359 1.125 -7.537 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -18.138 1.353 -6.264 1.00 2.72 H new ATOM 233 N SER A 16 -18.739 4.515 -4.378 1.00 3.63 N ATOM 234 CA SER A 16 -17.552 5.051 -3.745 1.00 3.82 C ATOM 235 C SER A 16 -16.505 3.964 -3.578 1.00 3.58 C ATOM 236 O SER A 16 -16.820 2.782 -3.420 1.00 3.34 O ATOM 237 CB SER A 16 -17.874 5.696 -2.404 1.00 4.13 C ATOM 238 OG SER A 16 -18.880 6.682 -2.549 1.00 4.34 O ATOM 0 H SER A 16 -19.606 4.650 -3.857 1.00 3.63 H new ATOM 0 HA SER A 16 -17.151 5.829 -4.395 1.00 3.82 H new ATOM 0 HB2 SER A 16 -18.205 4.934 -1.699 1.00 4.13 H new ATOM 0 HB3 SER A 16 -16.974 6.147 -1.987 1.00 4.13 H new ATOM 0 HG SER A 16 -19.073 7.083 -1.676 1.00 4.34 H new ATOM 244 N TYR A 17 -15.269 4.387 -3.617 1.00 3.68 N ATOM 245 CA TYR A 17 -14.122 3.504 -3.490 1.00 3.49 C ATOM 246 C TYR A 17 -14.226 2.614 -2.263 1.00 3.42 C ATOM 247 O TYR A 17 -14.109 1.392 -2.354 1.00 3.16 O ATOM 248 CB TYR A 17 -12.890 4.373 -3.386 1.00 3.71 C ATOM 249 CG TYR A 17 -11.650 3.600 -3.099 1.00 3.56 C ATOM 250 CD1 TYR A 17 -11.110 2.784 -4.065 1.00 3.31 C ATOM 251 CD2 TYR A 17 -11.018 3.694 -1.871 1.00 3.69 C ATOM 252 CE1 TYR A 17 -9.968 2.078 -3.830 1.00 3.18 C ATOM 253 CE2 TYR A 17 -9.868 2.983 -1.619 1.00 3.55 C ATOM 254 CZ TYR A 17 -9.344 2.175 -2.606 1.00 3.28 C ATOM 255 OH TYR A 17 -8.194 1.473 -2.372 1.00 3.16 O ATOM 0 H TYR A 17 -15.019 5.368 -3.739 1.00 3.68 H new ATOM 0 HA TYR A 17 -14.075 2.847 -4.358 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -12.761 4.922 -4.319 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -13.040 5.112 -2.599 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -11.598 2.701 -5.025 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -11.432 4.332 -1.104 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -9.554 1.445 -4.601 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -9.380 3.057 -0.658 1.00 3.55 H new ATOM 0 HH TYR A 17 -7.881 1.653 -1.461 1.00 3.16 H new ATOM 265 N GLN A 18 -14.481 3.237 -1.128 1.00 3.70 N ATOM 266 CA GLN A 18 -14.590 2.527 0.141 1.00 3.76 C ATOM 267 C GLN A 18 -15.737 1.509 0.131 1.00 3.60 C ATOM 268 O GLN A 18 -15.735 0.553 0.907 1.00 3.59 O ATOM 269 CB GLN A 18 -14.759 3.537 1.274 1.00 4.16 C ATOM 270 CG GLN A 18 -13.646 3.474 2.306 1.00 4.57 C ATOM 271 CD GLN A 18 -12.266 3.543 1.677 1.00 5.01 C ATOM 272 OE1 GLN A 18 -11.647 2.521 1.393 1.00 5.50 O ATOM 273 NE2 GLN A 18 -11.780 4.753 1.444 1.00 5.22 N ATOM 0 H GLN A 18 -14.619 4.245 -1.055 1.00 3.70 H new ATOM 0 HA GLN A 18 -13.673 1.960 0.299 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -14.798 4.542 0.853 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -15.714 3.361 1.769 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -13.762 4.297 3.011 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -13.736 2.550 2.877 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -12.325 5.578 1.694 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -10.861 4.859 1.014 1.00 5.22 H new ATOM 282 N THR A 19 -16.705 1.713 -0.757 1.00 3.52 N ATOM 283 CA THR A 19 -17.832 0.811 -0.887 1.00 3.39 C ATOM 284 C THR A 19 -17.377 -0.526 -1.452 1.00 3.07 C ATOM 285 O THR A 19 -17.481 -1.557 -0.788 1.00 3.08 O ATOM 286 CB THR A 19 -18.909 1.433 -1.801 1.00 3.36 C ATOM 287 OG1 THR A 19 -19.124 2.795 -1.414 1.00 3.65 O ATOM 288 CG2 THR A 19 -20.217 0.668 -1.723 1.00 3.31 C ATOM 0 H THR A 19 -16.726 2.504 -1.400 1.00 3.52 H new ATOM 0 HA THR A 19 -18.261 0.645 0.101 1.00 3.39 H new ATOM 0 HB THR A 19 -18.555 1.384 -2.831 1.00 3.36 H new ATOM 0 HG1 THR A 19 -19.806 3.196 -1.992 1.00 3.65 H new ATOM 0 HG21 THR A 19 -20.951 1.135 -2.380 1.00 3.31 H new ATOM 0 HG22 THR A 19 -20.054 -0.363 -2.036 1.00 3.31 H new ATOM 0 HG23 THR A 19 -20.586 0.682 -0.698 1.00 3.31 H new ATOM 296 N VAL A 20 -16.831 -0.491 -2.661 1.00 2.85 N ATOM 297 CA VAL A 20 -16.368 -1.695 -3.328 1.00 2.58 C ATOM 298 C VAL A 20 -15.145 -2.293 -2.640 1.00 2.57 C ATOM 299 O VAL A 20 -14.932 -3.501 -2.693 1.00 2.46 O ATOM 300 CB VAL A 20 -16.129 -1.460 -4.840 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.430 -0.028 -5.224 1.00 2.61 C ATOM 302 CG2 VAL A 20 -14.731 -1.810 -5.295 1.00 2.31 C ATOM 0 H VAL A 20 -16.699 0.365 -3.200 1.00 2.85 H new ATOM 0 HA VAL A 20 -17.166 -2.433 -3.245 1.00 2.58 H new ATOM 0 HB VAL A 20 -16.817 -2.137 -5.347 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -16.253 0.107 -6.291 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.472 0.198 -4.997 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -15.782 0.644 -4.661 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -14.638 -1.620 -6.364 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -14.009 -1.199 -4.754 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.537 -2.864 -5.096 1.00 2.31 H new ATOM 312 N SER A 21 -14.346 -1.453 -2.006 1.00 2.73 N ATOM 313 CA SER A 21 -13.172 -1.934 -1.280 1.00 2.74 C ATOM 314 C SER A 21 -13.599 -2.940 -0.210 1.00 2.85 C ATOM 315 O SER A 21 -12.981 -3.992 -0.042 1.00 2.78 O ATOM 316 CB SER A 21 -12.409 -0.770 -0.645 1.00 2.97 C ATOM 317 OG SER A 21 -11.926 0.120 -1.636 1.00 3.19 O ATOM 0 H SER A 21 -14.482 -0.443 -1.976 1.00 2.73 H new ATOM 0 HA SER A 21 -12.505 -2.428 -1.986 1.00 2.74 H new ATOM 0 HB2 SER A 21 -13.063 -0.234 0.043 1.00 2.97 H new ATOM 0 HB3 SER A 21 -11.575 -1.154 -0.058 1.00 2.97 H new ATOM 0 HG SER A 21 -12.673 0.431 -2.189 1.00 3.19 H new ATOM 323 N ARG A 22 -14.687 -2.621 0.487 1.00 3.06 N ATOM 324 CA ARG A 22 -15.222 -3.491 1.520 1.00 3.25 C ATOM 325 C ARG A 22 -15.815 -4.728 0.861 1.00 3.12 C ATOM 326 O ARG A 22 -15.818 -5.821 1.430 1.00 3.25 O ATOM 327 CB ARG A 22 -16.277 -2.729 2.346 1.00 3.54 C ATOM 328 CG ARG A 22 -17.615 -3.446 2.489 1.00 3.73 C ATOM 329 CD ARG A 22 -18.785 -2.548 2.107 1.00 3.83 C ATOM 330 NE ARG A 22 -18.859 -1.346 2.942 1.00 3.92 N ATOM 331 CZ ARG A 22 -19.994 -0.697 3.224 1.00 4.17 C ATOM 332 NH1 ARG A 22 -21.155 -1.143 2.757 1.00 4.31 N ATOM 333 NH2 ARG A 22 -19.968 0.396 3.977 1.00 4.44 N ATOM 0 H ARG A 22 -15.215 -1.759 0.350 1.00 3.06 H new ATOM 0 HA ARG A 22 -14.431 -3.805 2.201 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -15.873 -2.541 3.341 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -16.449 -1.757 1.883 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -17.619 -4.335 1.859 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -17.738 -3.784 3.518 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -18.690 -2.256 1.061 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -19.715 -3.109 2.198 1.00 3.83 H new ATOM 0 HE ARG A 22 -17.990 -0.981 3.333 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -21.184 -1.984 2.181 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -22.018 -0.644 2.975 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -19.081 0.743 4.342 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -20.835 0.889 4.190 1.00 4.44 H new ATOM 347 N VAL A 23 -16.294 -4.526 -0.357 1.00 2.91 N ATOM 348 CA VAL A 23 -16.902 -5.572 -1.148 1.00 2.82 C ATOM 349 C VAL A 23 -15.864 -6.614 -1.543 1.00 2.72 C ATOM 350 O VAL A 23 -16.050 -7.811 -1.334 1.00 2.86 O ATOM 351 CB VAL A 23 -17.548 -4.983 -2.419 1.00 2.62 C ATOM 352 CG1 VAL A 23 -18.052 -6.079 -3.327 1.00 2.56 C ATOM 353 CG2 VAL A 23 -18.676 -4.020 -2.070 1.00 2.76 C ATOM 0 H VAL A 23 -16.269 -3.620 -0.824 1.00 2.91 H new ATOM 0 HA VAL A 23 -17.674 -6.048 -0.543 1.00 2.82 H new ATOM 0 HB VAL A 23 -16.778 -4.424 -2.950 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -18.503 -5.637 -4.215 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -17.220 -6.718 -3.622 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.798 -6.674 -2.800 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -19.111 -3.622 -2.987 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -19.443 -4.548 -1.504 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -18.282 -3.200 -1.470 1.00 2.76 H new ATOM 363 N VAL A 24 -14.757 -6.127 -2.087 1.00 2.54 N ATOM 364 CA VAL A 24 -13.663 -6.973 -2.532 1.00 2.46 C ATOM 365 C VAL A 24 -13.020 -7.718 -1.362 1.00 2.68 C ATOM 366 O VAL A 24 -12.355 -8.737 -1.555 1.00 2.72 O ATOM 367 CB VAL A 24 -12.610 -6.134 -3.314 1.00 2.28 C ATOM 368 CG1 VAL A 24 -11.252 -6.104 -2.622 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.471 -6.649 -4.742 1.00 2.15 C ATOM 0 H VAL A 24 -14.594 -5.131 -2.232 1.00 2.54 H new ATOM 0 HA VAL A 24 -14.071 -7.725 -3.207 1.00 2.46 H new ATOM 0 HB VAL A 24 -12.976 -5.108 -3.337 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -10.557 -5.505 -3.211 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -11.359 -5.665 -1.630 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -10.868 -7.120 -2.530 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.731 -6.051 -5.274 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -12.151 -7.691 -4.724 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.432 -6.574 -5.251 1.00 2.15 H new ATOM 508 N THR A 34 -25.189 -3.239 -6.047 1.00 2.54 N ATOM 509 CA THR A 34 -23.892 -2.676 -5.761 1.00 2.50 C ATOM 510 C THR A 34 -22.788 -3.711 -5.926 1.00 2.40 C ATOM 511 O THR A 34 -21.757 -3.421 -6.527 1.00 2.28 O ATOM 512 CB THR A 34 -23.846 -2.105 -4.344 1.00 2.73 C ATOM 513 OG1 THR A 34 -24.956 -1.217 -4.155 1.00 2.86 O ATOM 514 CG2 THR A 34 -22.539 -1.373 -4.125 1.00 2.75 C ATOM 0 HA THR A 34 -23.726 -1.872 -6.478 1.00 2.50 H new ATOM 0 HB THR A 34 -23.912 -2.917 -3.620 1.00 2.73 H new ATOM 0 HG1 THR A 34 -25.671 -1.448 -4.784 1.00 2.86 H new ATOM 0 HG21 THR A 34 -22.513 -0.969 -3.113 1.00 2.75 H new ATOM 0 HG22 THR A 34 -21.707 -2.065 -4.261 1.00 2.75 H new ATOM 0 HG23 THR A 34 -22.454 -0.558 -4.844 1.00 2.75 H new ATOM 522 N ARG A 35 -23.021 -4.927 -5.447 1.00 2.51 N ATOM 523 CA ARG A 35 -22.016 -5.972 -5.543 1.00 2.50 C ATOM 524 C ARG A 35 -21.818 -6.338 -7.003 1.00 2.38 C ATOM 525 O ARG A 35 -20.706 -6.598 -7.456 1.00 2.33 O ATOM 526 CB ARG A 35 -22.440 -7.209 -4.750 1.00 2.77 C ATOM 527 CG ARG A 35 -21.945 -7.222 -3.315 1.00 2.94 C ATOM 528 CD ARG A 35 -22.408 -8.472 -2.581 1.00 3.35 C ATOM 529 NE ARG A 35 -23.636 -8.242 -1.819 1.00 3.39 N ATOM 530 CZ ARG A 35 -24.279 -9.193 -1.138 1.00 3.73 C ATOM 531 NH1 ARG A 35 -23.861 -10.456 -1.194 1.00 4.16 N ATOM 532 NH2 ARG A 35 -25.350 -8.881 -0.412 1.00 3.92 N ATOM 0 H ARG A 35 -23.889 -5.210 -4.993 1.00 2.51 H new ATOM 0 HA ARG A 35 -21.081 -5.603 -5.122 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -23.528 -7.272 -4.749 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -22.070 -8.099 -5.259 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -20.856 -7.173 -3.303 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -22.309 -6.336 -2.794 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -22.574 -9.274 -3.301 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -21.621 -8.808 -1.906 1.00 3.35 H new ATOM 0 HE ARG A 35 -24.024 -7.299 -1.808 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -23.047 -10.699 -1.759 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -24.355 -11.180 -0.672 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -25.679 -7.916 -0.376 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -25.842 -9.607 0.109 1.00 3.92 H new ATOM 546 N GLU A 36 -22.924 -6.324 -7.725 1.00 2.39 N ATOM 547 CA GLU A 36 -22.941 -6.642 -9.141 1.00 2.38 C ATOM 548 C GLU A 36 -22.209 -5.573 -9.928 1.00 2.27 C ATOM 549 O GLU A 36 -21.535 -5.861 -10.906 1.00 2.33 O ATOM 550 CB GLU A 36 -24.383 -6.750 -9.631 1.00 2.47 C ATOM 551 CG GLU A 36 -25.211 -7.758 -8.858 1.00 2.59 C ATOM 552 CD GLU A 36 -25.122 -9.153 -9.452 1.00 3.03 C ATOM 553 OE1 GLU A 36 -25.227 -9.288 -10.690 1.00 3.21 O ATOM 554 OE2 GLU A 36 -24.938 -10.122 -8.677 1.00 3.55 O ATOM 0 H GLU A 36 -23.841 -6.090 -7.343 1.00 2.39 H new ATOM 0 HA GLU A 36 -22.438 -7.597 -9.293 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -24.857 -5.771 -9.559 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -24.380 -7.026 -10.685 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -24.873 -7.784 -7.822 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -26.252 -7.436 -8.846 1.00 2.59 H new ATOM 561 N LYS A 37 -22.338 -4.338 -9.471 1.00 2.21 N ATOM 562 CA LYS A 37 -21.715 -3.205 -10.126 1.00 2.23 C ATOM 563 C LYS A 37 -20.210 -3.234 -9.931 1.00 2.19 C ATOM 564 O LYS A 37 -19.459 -3.066 -10.888 1.00 2.26 O ATOM 565 CB LYS A 37 -22.294 -1.892 -9.593 1.00 2.31 C ATOM 566 CG LYS A 37 -23.403 -1.317 -10.464 1.00 2.44 C ATOM 567 CD LYS A 37 -24.564 -0.789 -9.632 1.00 2.48 C ATOM 568 CE LYS A 37 -24.134 0.323 -8.687 1.00 2.57 C ATOM 569 NZ LYS A 37 -23.860 1.598 -9.405 1.00 2.84 N ATOM 0 H LYS A 37 -22.876 -4.096 -8.639 1.00 2.21 H new ATOM 0 HA LYS A 37 -21.926 -3.270 -11.193 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.682 -2.057 -8.588 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -21.492 -1.159 -9.509 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -23.001 -0.511 -11.078 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -23.765 -2.087 -11.145 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -25.345 -0.418 -10.295 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -24.997 -1.606 -9.055 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -24.914 0.487 -7.944 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -23.239 0.013 -8.147 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -23.636 2.344 -8.715 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -23.053 1.468 -10.048 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -24.699 1.874 -9.954 1.00 2.84 H new ATOM 583 N VAL A 38 -19.772 -3.467 -8.698 1.00 2.13 N ATOM 584 CA VAL A 38 -18.341 -3.514 -8.406 1.00 2.10 C ATOM 585 C VAL A 38 -17.698 -4.698 -9.131 1.00 2.10 C ATOM 586 O VAL A 38 -16.661 -4.553 -9.776 1.00 2.14 O ATOM 587 CB VAL A 38 -18.060 -3.590 -6.890 1.00 2.11 C ATOM 588 CG1 VAL A 38 -18.976 -2.644 -6.134 1.00 2.26 C ATOM 589 CG2 VAL A 38 -18.192 -4.998 -6.359 1.00 2.12 C ATOM 0 H VAL A 38 -20.378 -3.625 -7.893 1.00 2.13 H new ATOM 0 HA VAL A 38 -17.899 -2.586 -8.768 1.00 2.10 H new ATOM 0 HB VAL A 38 -17.026 -3.282 -6.733 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -18.766 -2.709 -5.067 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -18.806 -1.623 -6.476 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -20.015 -2.920 -6.317 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -17.986 -5.004 -5.289 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -19.205 -5.360 -6.535 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -17.481 -5.647 -6.869 1.00 2.12 H new ATOM 599 N GLU A 39 -18.336 -5.860 -9.028 1.00 2.16 N ATOM 600 CA GLU A 39 -17.856 -7.068 -9.678 1.00 2.30 C ATOM 601 C GLU A 39 -17.854 -6.882 -11.180 1.00 2.42 C ATOM 602 O GLU A 39 -16.906 -7.280 -11.849 1.00 2.56 O ATOM 603 CB GLU A 39 -18.698 -8.283 -9.284 1.00 2.46 C ATOM 604 CG GLU A 39 -18.026 -9.147 -8.229 1.00 2.53 C ATOM 605 CD GLU A 39 -17.669 -10.532 -8.739 1.00 2.89 C ATOM 606 OE1 GLU A 39 -17.262 -10.654 -9.916 1.00 3.12 O ATOM 607 OE2 GLU A 39 -17.785 -11.507 -7.965 1.00 3.27 O ATOM 0 H GLU A 39 -19.196 -5.987 -8.494 1.00 2.16 H new ATOM 0 HA GLU A 39 -16.835 -7.254 -9.344 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -19.664 -7.944 -8.909 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -18.894 -8.886 -10.170 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -17.121 -8.649 -7.881 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -18.688 -9.242 -7.368 1.00 2.53 H new ATOM 614 N ALA A 40 -18.909 -6.267 -11.711 1.00 2.42 N ATOM 615 CA ALA A 40 -18.961 -6.008 -13.139 1.00 2.60 C ATOM 616 C ALA A 40 -17.802 -5.115 -13.506 1.00 2.65 C ATOM 617 O ALA A 40 -17.000 -5.452 -14.366 1.00 2.86 O ATOM 618 CB ALA A 40 -20.263 -5.342 -13.552 1.00 2.61 C ATOM 0 H ALA A 40 -19.721 -5.947 -11.183 1.00 2.42 H new ATOM 0 HA ALA A 40 -18.902 -6.962 -13.663 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -20.257 -5.168 -14.628 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -21.101 -5.990 -13.294 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.366 -4.390 -13.031 1.00 2.61 H new ATOM 624 N ALA A 41 -17.694 -3.994 -12.804 1.00 2.52 N ATOM 625 CA ALA A 41 -16.637 -3.040 -13.050 1.00 2.63 C ATOM 626 C ALA A 41 -15.250 -3.669 -13.059 1.00 2.66 C ATOM 627 O ALA A 41 -14.497 -3.494 -14.012 1.00 2.89 O ATOM 628 CB ALA A 41 -16.698 -1.959 -12.008 1.00 2.54 C ATOM 0 H ALA A 41 -18.334 -3.728 -12.056 1.00 2.52 H new ATOM 0 HA ALA A 41 -16.798 -2.629 -14.047 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -15.903 -1.235 -12.188 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -17.664 -1.457 -12.061 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -16.571 -2.399 -11.019 1.00 2.54 H new ATOM 634 N MET A 42 -14.918 -4.419 -12.020 1.00 2.47 N ATOM 635 CA MET A 42 -13.609 -5.049 -11.946 1.00 2.49 C ATOM 636 C MET A 42 -13.454 -6.084 -13.053 1.00 2.73 C ATOM 637 O MET A 42 -12.361 -6.290 -13.566 1.00 2.88 O ATOM 638 CB MET A 42 -13.343 -5.673 -10.572 1.00 2.29 C ATOM 639 CG MET A 42 -14.355 -6.710 -10.149 1.00 2.26 C ATOM 640 SD MET A 42 -14.179 -7.165 -8.419 1.00 2.15 S ATOM 641 CE MET A 42 -14.390 -5.553 -7.679 1.00 2.02 C ATOM 0 H MET A 42 -15.529 -4.605 -11.225 1.00 2.47 H new ATOM 0 HA MET A 42 -12.862 -4.268 -12.088 1.00 2.49 H new ATOM 0 HB2 MET A 42 -12.354 -6.131 -10.580 1.00 2.29 H new ATOM 0 HB3 MET A 42 -13.321 -4.880 -9.825 1.00 2.29 H new ATOM 0 HG2 MET A 42 -15.360 -6.325 -10.321 1.00 2.26 H new ATOM 0 HG3 MET A 42 -14.243 -7.599 -10.770 1.00 2.26 H new ATOM 0 HE1 MET A 42 -14.834 -5.662 -6.690 1.00 2.02 H new ATOM 0 HE2 MET A 42 -13.420 -5.064 -7.589 1.00 2.02 H new ATOM 0 HE3 MET A 42 -15.045 -4.948 -8.306 1.00 2.02 H new ATOM 651 N ALA A 43 -14.560 -6.722 -13.424 1.00 2.80 N ATOM 652 CA ALA A 43 -14.534 -7.755 -14.455 1.00 3.09 C ATOM 653 C ALA A 43 -14.295 -7.149 -15.831 1.00 3.36 C ATOM 654 O ALA A 43 -13.506 -7.667 -16.624 1.00 3.60 O ATOM 655 CB ALA A 43 -15.826 -8.558 -14.449 1.00 3.15 C ATOM 0 H ALA A 43 -15.483 -6.543 -13.028 1.00 2.80 H new ATOM 0 HA ALA A 43 -13.707 -8.428 -14.230 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -15.783 -9.322 -15.226 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -15.953 -9.035 -13.477 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -16.668 -7.893 -14.640 1.00 3.15 H new ATOM 661 N GLU A 44 -14.984 -6.052 -16.108 1.00 3.34 N ATOM 662 CA GLU A 44 -14.863 -5.370 -17.389 1.00 3.63 C ATOM 663 C GLU A 44 -13.506 -4.714 -17.523 1.00 3.73 C ATOM 664 O GLU A 44 -12.851 -4.809 -18.562 1.00 4.02 O ATOM 665 CB GLU A 44 -15.937 -4.302 -17.521 1.00 3.61 C ATOM 666 CG GLU A 44 -17.324 -4.766 -17.134 1.00 3.44 C ATOM 667 CD GLU A 44 -17.896 -5.825 -18.071 1.00 3.74 C ATOM 668 OE1 GLU A 44 -17.161 -6.314 -18.959 1.00 4.09 O ATOM 669 OE2 GLU A 44 -19.086 -6.181 -17.922 1.00 3.86 O ATOM 0 H GLU A 44 -15.637 -5.613 -15.459 1.00 3.34 H new ATOM 0 HA GLU A 44 -14.983 -6.115 -18.175 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -15.664 -3.450 -16.899 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -15.958 -3.950 -18.552 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -17.295 -5.167 -16.121 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -17.994 -3.907 -17.118 1.00 3.44 H new ATOM 676 N LEU A 45 -13.084 -4.056 -16.455 1.00 3.50 N ATOM 677 CA LEU A 45 -11.796 -3.374 -16.450 1.00 3.59 C ATOM 678 C LEU A 45 -10.668 -4.364 -16.222 1.00 3.56 C ATOM 679 O LEU A 45 -9.500 -3.973 -16.165 1.00 3.63 O ATOM 680 CB LEU A 45 -11.748 -2.297 -15.363 1.00 3.41 C ATOM 681 CG LEU A 45 -12.971 -1.385 -15.271 1.00 3.38 C ATOM 682 CD1 LEU A 45 -12.665 -0.186 -14.388 1.00 3.36 C ATOM 683 CD2 LEU A 45 -13.432 -0.950 -16.655 1.00 3.71 C ATOM 0 H LEU A 45 -13.610 -3.979 -15.584 1.00 3.50 H new ATOM 0 HA LEU A 45 -11.672 -2.900 -17.424 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -11.611 -2.787 -14.399 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -10.868 -1.676 -15.533 1.00 3.41 H new ATOM 0 HG LEU A 45 -13.789 -1.944 -14.816 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -13.543 0.457 -14.330 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -12.399 -0.529 -13.388 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -11.832 0.375 -14.812 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -14.303 -0.302 -16.561 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -12.628 -0.407 -17.152 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -13.695 -1.829 -17.244 1.00 3.71 H new ATOM 695 N ASN A 46 -11.031 -5.638 -16.071 1.00 3.49 N ATOM 696 CA ASN A 46 -10.068 -6.726 -15.854 1.00 3.50 C ATOM 697 C ASN A 46 -9.531 -6.694 -14.423 1.00 3.19 C ATOM 698 O ASN A 46 -9.540 -7.716 -13.732 1.00 3.08 O ATOM 699 CB ASN A 46 -8.928 -6.655 -16.888 1.00 3.80 C ATOM 700 CG ASN A 46 -7.742 -7.554 -16.574 1.00 3.84 C ATOM 701 OD1 ASN A 46 -7.877 -8.619 -15.972 1.00 4.18 O ATOM 702 ND2 ASN A 46 -6.561 -7.128 -17.004 1.00 3.81 N ATOM 0 H ASN A 46 -12.002 -5.949 -16.095 1.00 3.49 H new ATOM 0 HA ASN A 46 -10.581 -7.678 -15.992 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.324 -6.924 -17.867 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -8.580 -5.624 -16.957 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -5.725 -7.689 -16.839 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -6.489 -6.239 -17.500 1.00 3.81 H new ATOM 1030 N THR B 5 5.816 -9.702 4.237 1.00 2.76 N ATOM 1031 CA THR B 5 5.943 -8.387 3.655 1.00 2.63 C ATOM 1032 C THR B 5 7.413 -8.167 3.456 1.00 2.52 C ATOM 1033 O THR B 5 8.224 -8.849 4.083 1.00 2.57 O ATOM 1034 CB THR B 5 5.410 -7.251 4.555 1.00 2.87 C ATOM 1035 OG1 THR B 5 5.984 -7.337 5.863 1.00 3.17 O ATOM 1036 CG2 THR B 5 3.897 -7.267 4.652 1.00 2.93 C ATOM 0 HA THR B 5 5.355 -8.356 2.738 1.00 2.63 H new ATOM 0 HB THR B 5 5.704 -6.309 4.093 1.00 2.87 H new ATOM 0 HG1 THR B 5 6.169 -8.275 6.078 1.00 3.17 H new ATOM 0 HG21 THR B 5 3.565 -6.451 5.294 1.00 2.93 H new ATOM 0 HG22 THR B 5 3.467 -7.144 3.658 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.569 -8.217 5.074 1.00 2.93 H new ATOM 1044 N LEU B 6 7.787 -7.263 2.589 1.00 2.40 N ATOM 1045 CA LEU B 6 9.202 -7.012 2.407 1.00 2.35 C ATOM 1046 C LEU B 6 9.804 -6.517 3.728 1.00 2.56 C ATOM 1047 O LEU B 6 11.008 -6.610 3.960 1.00 2.56 O ATOM 1048 CB LEU B 6 9.438 -6.049 1.260 1.00 2.33 C ATOM 1049 CG LEU B 6 10.200 -6.635 0.090 1.00 2.21 C ATOM 1050 CD1 LEU B 6 10.535 -5.556 -0.924 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.457 -7.336 0.574 1.00 2.15 C ATOM 0 H LEU B 6 7.160 -6.702 2.013 1.00 2.40 H new ATOM 0 HA LEU B 6 9.708 -7.938 2.135 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.474 -5.686 0.903 1.00 2.33 H new ATOM 0 HB3 LEU B 6 9.985 -5.184 1.636 1.00 2.33 H new ATOM 0 HG LEU B 6 9.567 -7.374 -0.402 1.00 2.21 H new ATOM 0 HD11 LEU B 6 11.082 -5.997 -1.757 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.614 -5.105 -1.293 1.00 2.35 H new ATOM 0 HD13 LEU B 6 11.150 -4.790 -0.451 1.00 2.35 H new ATOM 0 HD21 LEU B 6 11.993 -7.752 -0.279 1.00 2.15 H new ATOM 0 HD22 LEU B 6 12.096 -6.621 1.091 1.00 2.15 H new ATOM 0 HD23 LEU B 6 11.185 -8.140 1.258 1.00 2.15 H new ATOM 1063 N TYR B 7 8.921 -6.009 4.588 1.00 2.79 N ATOM 1064 CA TYR B 7 9.272 -5.521 5.925 1.00 3.08 C ATOM 1065 C TYR B 7 9.801 -6.669 6.773 1.00 3.12 C ATOM 1066 O TYR B 7 10.761 -6.531 7.529 1.00 3.25 O ATOM 1067 CB TYR B 7 8.021 -4.981 6.618 1.00 3.33 C ATOM 1068 CG TYR B 7 7.888 -3.481 6.679 1.00 3.53 C ATOM 1069 CD1 TYR B 7 9.028 -2.693 6.621 1.00 3.59 C ATOM 1070 CD2 TYR B 7 6.654 -2.852 6.771 1.00 3.70 C ATOM 1071 CE1 TYR B 7 8.941 -1.316 6.645 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.561 -1.477 6.800 1.00 3.93 C ATOM 1073 CZ TYR B 7 7.584 -0.728 6.845 1.00 4.03 C ATOM 1074 OH TYR B 7 7.609 0.660 6.761 1.00 4.28 O ATOM 0 H TYR B 7 7.927 -5.923 4.374 1.00 2.79 H new ATOM 0 HA TYR B 7 10.027 -4.741 5.820 1.00 3.08 H new ATOM 0 HB2 TYR B 7 7.146 -5.382 6.106 1.00 3.33 H new ATOM 0 HB3 TYR B 7 8.000 -5.368 7.637 1.00 3.33 H new ATOM 0 HD1 TYR B 7 9.998 -3.164 6.556 1.00 3.59 H new ATOM 0 HD2 TYR B 7 5.755 -3.448 6.821 1.00 3.70 H new ATOM 0 HE1 TYR B 7 9.815 -0.693 6.525 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.582 -1.021 6.784 1.00 3.93 H new ATOM 0 HH TYR B 7 6.704 1.012 6.895 1.00 4.28 H new ATOM 1084 N ASP B 8 9.144 -7.804 6.606 1.00 3.03 N ATOM 1085 CA ASP B 8 9.438 -9.030 7.330 1.00 3.14 C ATOM 1086 C ASP B 8 10.822 -9.514 6.972 1.00 2.96 C ATOM 1087 O ASP B 8 11.613 -9.883 7.838 1.00 3.10 O ATOM 1088 CB ASP B 8 8.386 -10.092 6.980 1.00 3.13 C ATOM 1089 CG ASP B 8 7.065 -9.879 7.687 1.00 3.41 C ATOM 1090 OD1 ASP B 8 7.026 -9.943 8.934 1.00 3.77 O ATOM 1091 OD2 ASP B 8 6.057 -9.648 6.988 1.00 3.29 O ATOM 0 H ASP B 8 8.372 -7.901 5.947 1.00 3.03 H new ATOM 0 HA ASP B 8 9.405 -8.842 8.403 1.00 3.14 H new ATOM 0 HB2 ASP B 8 8.219 -10.087 5.903 1.00 3.13 H new ATOM 0 HB3 ASP B 8 8.774 -11.077 7.238 1.00 3.13 H new ATOM 1096 N VAL B 9 11.115 -9.477 5.684 1.00 2.68 N ATOM 1097 CA VAL B 9 12.398 -9.904 5.183 1.00 2.52 C ATOM 1098 C VAL B 9 13.462 -8.938 5.651 1.00 2.58 C ATOM 1099 O VAL B 9 14.544 -9.326 6.068 1.00 2.60 O ATOM 1100 CB VAL B 9 12.385 -9.959 3.652 1.00 2.28 C ATOM 1101 CG1 VAL B 9 13.753 -10.304 3.120 1.00 2.17 C ATOM 1102 CG2 VAL B 9 11.348 -10.958 3.164 1.00 2.28 C ATOM 0 H VAL B 9 10.470 -9.151 4.964 1.00 2.68 H new ATOM 0 HA VAL B 9 12.614 -10.903 5.563 1.00 2.52 H new ATOM 0 HB VAL B 9 12.114 -8.973 3.274 1.00 2.28 H new ATOM 0 HG11 VAL B 9 13.722 -10.338 2.031 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.469 -9.547 3.439 1.00 2.17 H new ATOM 0 HG13 VAL B 9 14.058 -11.277 3.505 1.00 2.17 H new ATOM 0 HG21 VAL B 9 11.352 -10.984 2.074 1.00 2.28 H new ATOM 0 HG22 VAL B 9 11.586 -11.948 3.552 1.00 2.28 H new ATOM 0 HG23 VAL B 9 10.361 -10.659 3.516 1.00 2.28 H new ATOM 1112 N ALA B 10 13.108 -7.674 5.589 1.00 2.67 N ATOM 1113 CA ALA B 10 13.995 -6.591 5.988 1.00 2.84 C ATOM 1114 C ALA B 10 14.402 -6.716 7.448 1.00 3.09 C ATOM 1115 O ALA B 10 15.584 -6.630 7.787 1.00 3.13 O ATOM 1116 CB ALA B 10 13.290 -5.277 5.730 1.00 2.99 C ATOM 0 H ALA B 10 12.195 -7.361 5.260 1.00 2.67 H new ATOM 0 HA ALA B 10 14.913 -6.639 5.402 1.00 2.84 H new ATOM 0 HB1 ALA B 10 13.939 -4.452 6.023 1.00 2.99 H new ATOM 0 HB2 ALA B 10 13.053 -5.193 4.669 1.00 2.99 H new ATOM 0 HB3 ALA B 10 12.369 -5.238 6.312 1.00 2.99 H new ATOM 1122 N GLU B 11 13.425 -6.961 8.295 1.00 3.27 N ATOM 1123 CA GLU B 11 13.659 -7.105 9.721 1.00 3.56 C ATOM 1124 C GLU B 11 14.504 -8.339 9.970 1.00 3.49 C ATOM 1125 O GLU B 11 15.502 -8.301 10.692 1.00 3.61 O ATOM 1126 CB GLU B 11 12.332 -7.201 10.471 1.00 3.79 C ATOM 1127 CG GLU B 11 11.965 -5.934 11.224 1.00 4.20 C ATOM 1128 CD GLU B 11 12.379 -5.985 12.678 1.00 4.71 C ATOM 1129 OE1 GLU B 11 12.070 -6.985 13.357 1.00 4.85 O ATOM 1130 OE2 GLU B 11 13.021 -5.024 13.151 1.00 5.21 O ATOM 0 H GLU B 11 12.449 -7.066 8.019 1.00 3.27 H new ATOM 0 HA GLU B 11 14.192 -6.228 10.089 1.00 3.56 H new ATOM 0 HB2 GLU B 11 11.539 -7.434 9.760 1.00 3.79 H new ATOM 0 HB3 GLU B 11 12.382 -8.031 11.176 1.00 3.79 H new ATOM 0 HG2 GLU B 11 12.441 -5.079 10.744 1.00 4.20 H new ATOM 0 HG3 GLU B 11 10.888 -5.777 11.161 1.00 4.20 H new ATOM 1137 N TYR B 12 14.082 -9.434 9.363 1.00 3.31 N ATOM 1138 CA TYR B 12 14.773 -10.703 9.476 1.00 3.27 C ATOM 1139 C TYR B 12 16.200 -10.608 8.936 1.00 3.07 C ATOM 1140 O TYR B 12 17.094 -11.331 9.386 1.00 3.12 O ATOM 1141 CB TYR B 12 13.984 -11.762 8.715 1.00 3.15 C ATOM 1142 CG TYR B 12 14.500 -13.164 8.878 1.00 3.21 C ATOM 1143 CD1 TYR B 12 14.480 -13.801 10.109 1.00 3.52 C ATOM 1144 CD2 TYR B 12 14.987 -13.856 7.786 1.00 3.01 C ATOM 1145 CE1 TYR B 12 14.939 -15.096 10.245 1.00 3.62 C ATOM 1146 CE2 TYR B 12 15.450 -15.145 7.905 1.00 3.12 C ATOM 1147 CZ TYR B 12 15.421 -15.767 9.140 1.00 3.42 C ATOM 1148 OH TYR B 12 15.871 -17.061 9.277 1.00 3.57 O ATOM 0 H TYR B 12 13.248 -9.467 8.777 1.00 3.31 H new ATOM 0 HA TYR B 12 14.842 -10.978 10.529 1.00 3.27 H new ATOM 0 HB2 TYR B 12 12.946 -11.730 9.046 1.00 3.15 H new ATOM 0 HB3 TYR B 12 13.989 -11.508 7.655 1.00 3.15 H new ATOM 0 HD1 TYR B 12 14.100 -13.277 10.974 1.00 3.52 H new ATOM 0 HD2 TYR B 12 15.004 -13.375 6.819 1.00 3.01 H new ATOM 0 HE1 TYR B 12 14.921 -15.581 11.210 1.00 3.62 H new ATOM 0 HE2 TYR B 12 15.833 -15.668 7.041 1.00 3.12 H new ATOM 0 HH TYR B 12 16.778 -17.132 8.914 1.00 3.57 H new ATOM 1158 N ALA B 13 16.424 -9.706 7.979 1.00 2.88 N ATOM 1159 CA ALA B 13 17.752 -9.535 7.400 1.00 2.72 C ATOM 1160 C ALA B 13 18.564 -8.584 8.274 1.00 2.94 C ATOM 1161 O ALA B 13 19.794 -8.632 8.305 1.00 2.90 O ATOM 1162 CB ALA B 13 17.644 -9.002 5.984 1.00 2.52 C ATOM 0 H ALA B 13 15.709 -9.089 7.593 1.00 2.88 H new ATOM 0 HA ALA B 13 18.258 -10.500 7.359 1.00 2.72 H new ATOM 0 HB1 ALA B 13 18.642 -8.879 5.564 1.00 2.52 H new ATOM 0 HB2 ALA B 13 17.077 -9.705 5.373 1.00 2.52 H new ATOM 0 HB3 ALA B 13 17.134 -8.039 5.996 1.00 2.52 H new ATOM 1168 N GLY B 14 17.839 -7.714 8.972 1.00 3.18 N ATOM 1169 CA GLY B 14 18.438 -6.764 9.882 1.00 3.46 C ATOM 1170 C GLY B 14 18.813 -5.494 9.176 1.00 3.50 C ATOM 1171 O GLY B 14 19.789 -4.826 9.526 1.00 3.66 O ATOM 0 H GLY B 14 16.822 -7.654 8.917 1.00 3.18 H new ATOM 0 HA2 GLY B 14 17.741 -6.541 10.689 1.00 3.46 H new ATOM 0 HA3 GLY B 14 19.324 -7.204 10.339 1.00 3.46 H new ATOM 1175 N VAL B 15 18.027 -5.173 8.167 1.00 3.38 N ATOM 1176 CA VAL B 15 18.258 -4.012 7.318 1.00 3.45 C ATOM 1177 C VAL B 15 16.940 -3.320 6.977 1.00 3.53 C ATOM 1178 O VAL B 15 15.893 -3.969 6.993 1.00 3.41 O ATOM 1179 CB VAL B 15 18.988 -4.441 6.043 1.00 3.19 C ATOM 1180 CG1 VAL B 15 20.430 -4.777 6.346 1.00 3.17 C ATOM 1181 CG2 VAL B 15 18.301 -5.643 5.450 1.00 2.87 C ATOM 0 H VAL B 15 17.202 -5.713 7.908 1.00 3.38 H new ATOM 0 HA VAL B 15 18.880 -3.299 7.859 1.00 3.45 H new ATOM 0 HB VAL B 15 18.965 -3.617 5.330 1.00 3.19 H new ATOM 0 HG11 VAL B 15 20.934 -5.080 5.428 1.00 3.17 H new ATOM 0 HG12 VAL B 15 20.928 -3.901 6.761 1.00 3.17 H new ATOM 0 HG13 VAL B 15 20.470 -5.593 7.068 1.00 3.17 H new ATOM 0 HG21 VAL B 15 18.821 -5.948 4.542 1.00 2.87 H new ATOM 0 HG22 VAL B 15 18.315 -6.462 6.169 1.00 2.87 H new ATOM 0 HG23 VAL B 15 17.269 -5.390 5.209 1.00 2.87 H new ATOM 1191 N SER B 16 16.978 -2.000 6.750 1.00 3.79 N ATOM 1192 CA SER B 16 15.764 -1.227 6.405 1.00 3.90 C ATOM 1193 C SER B 16 14.945 -1.895 5.323 1.00 3.60 C ATOM 1194 O SER B 16 15.426 -2.769 4.593 1.00 3.35 O ATOM 1195 CB SER B 16 16.136 0.177 5.959 1.00 4.20 C ATOM 1196 OG SER B 16 17.008 0.794 6.888 1.00 4.38 O ATOM 0 H SER B 16 17.830 -1.441 6.797 1.00 3.79 H new ATOM 0 HA SER B 16 15.155 -1.181 7.308 1.00 3.90 H new ATOM 0 HB2 SER B 16 16.613 0.136 4.980 1.00 4.20 H new ATOM 0 HB3 SER B 16 15.233 0.778 5.849 1.00 4.20 H new ATOM 0 HG SER B 16 17.233 1.695 6.576 1.00 4.38 H new ATOM 1202 N TYR B 17 13.705 -1.479 5.231 1.00 3.62 N ATOM 1203 CA TYR B 17 12.805 -2.031 4.267 1.00 3.38 C ATOM 1204 C TYR B 17 13.363 -1.782 2.875 1.00 3.32 C ATOM 1205 O TYR B 17 13.687 -2.721 2.181 1.00 3.10 O ATOM 1206 CB TYR B 17 11.463 -1.383 4.491 1.00 3.51 C ATOM 1207 CG TYR B 17 10.440 -1.796 3.504 1.00 3.30 C ATOM 1208 CD1 TYR B 17 9.998 -3.091 3.493 1.00 3.03 C ATOM 1209 CD2 TYR B 17 9.897 -0.892 2.615 1.00 3.42 C ATOM 1210 CE1 TYR B 17 9.036 -3.487 2.631 1.00 2.87 C ATOM 1211 CE2 TYR B 17 8.930 -1.293 1.726 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.501 -2.607 1.749 1.00 2.94 C ATOM 1213 OH TYR B 17 7.530 -3.038 0.903 1.00 2.85 O ATOM 0 H TYR B 17 13.300 -0.753 5.822 1.00 3.62 H new ATOM 0 HA TYR B 17 12.688 -3.110 4.369 1.00 3.38 H new ATOM 0 HB2 TYR B 17 11.111 -1.629 5.493 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.579 -0.300 4.451 1.00 3.51 H new ATOM 0 HD1 TYR B 17 10.424 -3.806 4.182 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.233 0.134 2.618 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.691 -4.510 2.645 1.00 2.87 H new ATOM 0 HE2 TYR B 17 8.511 -0.592 1.019 1.00 3.26 H new ATOM 0 HH TYR B 17 7.242 -2.297 0.330 1.00 2.85 H new ATOM 1223 N GLN B 18 13.531 -0.509 2.515 1.00 3.58 N ATOM 1224 CA GLN B 18 14.176 -0.181 1.228 1.00 3.64 C ATOM 1225 C GLN B 18 15.673 -0.482 1.239 1.00 3.63 C ATOM 1226 O GLN B 18 16.406 -0.018 0.338 1.00 3.77 O ATOM 1227 CB GLN B 18 13.884 1.216 0.674 1.00 3.96 C ATOM 1228 CG GLN B 18 13.815 2.258 1.708 1.00 4.35 C ATOM 1229 CD GLN B 18 14.502 3.531 1.293 1.00 4.69 C ATOM 1230 OE1 GLN B 18 15.525 3.888 1.839 1.00 5.01 O ATOM 1231 NE2 GLN B 18 13.979 4.228 0.276 1.00 5.04 N ATOM 0 H GLN B 18 13.242 0.295 3.072 1.00 3.58 H new ATOM 0 HA GLN B 18 13.693 -0.856 0.521 1.00 3.64 H new ATOM 0 HB2 GLN B 18 14.659 1.481 -0.046 1.00 3.96 H new ATOM 0 HB3 GLN B 18 12.939 1.192 0.131 1.00 3.96 H new ATOM 0 HG2 GLN B 18 12.770 2.471 1.935 1.00 4.35 H new ATOM 0 HG3 GLN B 18 14.271 1.885 2.625 1.00 4.35 H new ATOM 0 HE21 GLN B 18 13.118 3.911 -0.170 1.00 5.04 H new ATOM 0 HE22 GLN B 18 14.442 5.076 -0.053 1.00 5.04 H new ATOM 1240 N THR B 19 16.148 -1.192 2.267 1.00 3.52 N ATOM 1241 CA THR B 19 17.500 -1.649 2.171 1.00 3.47 C ATOM 1242 C THR B 19 17.378 -2.772 1.176 1.00 3.18 C ATOM 1243 O THR B 19 17.913 -2.705 0.067 1.00 3.24 O ATOM 1244 CB THR B 19 18.164 -2.165 3.462 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.327 -1.104 4.391 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.518 -2.805 3.131 1.00 3.34 C ATOM 0 H THR B 19 15.640 -1.441 3.116 1.00 3.52 H new ATOM 0 HA THR B 19 18.151 -0.816 1.904 1.00 3.47 H new ATOM 0 HB THR B 19 17.521 -2.920 3.915 1.00 3.43 H new ATOM 0 HG1 THR B 19 19.010 -1.348 5.050 1.00 3.78 H new ATOM 0 HG21 THR B 19 19.983 -3.168 4.048 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.368 -3.639 2.445 1.00 3.34 H new ATOM 0 HG23 THR B 19 20.167 -2.064 2.664 1.00 3.34 H new ATOM 1254 N VAL B 20 16.610 -3.790 1.595 1.00 2.93 N ATOM 1255 CA VAL B 20 16.296 -4.969 0.804 1.00 2.66 C ATOM 1256 C VAL B 20 15.250 -4.688 -0.289 1.00 2.69 C ATOM 1257 O VAL B 20 15.269 -5.298 -1.346 1.00 2.62 O ATOM 1258 CB VAL B 20 15.866 -6.167 1.698 1.00 2.44 C ATOM 1259 CG1 VAL B 20 16.003 -5.860 3.185 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.447 -6.635 1.446 1.00 2.33 C ATOM 0 H VAL B 20 16.183 -3.807 2.521 1.00 2.93 H new ATOM 0 HA VAL B 20 17.219 -5.247 0.295 1.00 2.66 H new ATOM 0 HB VAL B 20 16.553 -6.965 1.416 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.690 -6.728 3.766 1.00 2.57 H new ATOM 0 HG12 VAL B 20 17.043 -5.625 3.414 1.00 2.57 H new ATOM 0 HG13 VAL B 20 15.374 -5.007 3.440 1.00 2.57 H new ATOM 0 HG21 VAL B 20 14.218 -7.472 2.105 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.754 -5.817 1.643 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.347 -6.952 0.408 1.00 2.33 H new ATOM 1270 N SER B 21 14.321 -3.767 -0.035 1.00 2.83 N ATOM 1271 CA SER B 21 13.299 -3.420 -1.021 1.00 2.87 C ATOM 1272 C SER B 21 13.955 -2.857 -2.276 1.00 3.09 C ATOM 1273 O SER B 21 13.519 -3.129 -3.391 1.00 3.10 O ATOM 1274 CB SER B 21 12.278 -2.413 -0.462 1.00 3.04 C ATOM 1275 OG SER B 21 11.345 -2.015 -1.452 1.00 3.23 O ATOM 0 H SER B 21 14.255 -3.250 0.842 1.00 2.83 H new ATOM 0 HA SER B 21 12.758 -4.333 -1.270 1.00 2.87 H new ATOM 0 HB2 SER B 21 11.749 -2.859 0.380 1.00 3.04 H new ATOM 0 HB3 SER B 21 12.801 -1.536 -0.081 1.00 3.04 H new ATOM 0 HG SER B 21 10.710 -1.377 -1.065 1.00 3.23 H new ATOM 1281 N ARG B 22 15.031 -2.098 -2.079 1.00 3.32 N ATOM 1282 CA ARG B 22 15.767 -1.534 -3.190 1.00 3.59 C ATOM 1283 C ARG B 22 16.427 -2.681 -3.924 1.00 3.45 C ATOM 1284 O ARG B 22 16.570 -2.673 -5.144 1.00 3.63 O ATOM 1285 CB ARG B 22 16.808 -0.525 -2.678 1.00 3.86 C ATOM 1286 CG ARG B 22 18.198 -0.690 -3.279 1.00 4.07 C ATOM 1287 CD ARG B 22 19.281 -0.292 -2.287 1.00 4.20 C ATOM 1288 NE ARG B 22 19.044 1.050 -1.750 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.962 2.017 -1.671 1.00 4.85 C ATOM 1290 NH1 ARG B 22 21.220 1.794 -2.034 1.00 4.70 N ATOM 1291 NH2 ARG B 22 19.618 3.218 -1.220 1.00 5.40 N ATOM 0 H ARG B 22 15.406 -1.864 -1.160 1.00 3.32 H new ATOM 0 HA ARG B 22 15.103 -0.995 -3.866 1.00 3.59 H new ATOM 0 HB2 ARG B 22 16.452 0.483 -2.889 1.00 3.86 H new ATOM 0 HB3 ARG B 22 16.882 -0.617 -1.594 1.00 3.86 H new ATOM 0 HG2 ARG B 22 18.344 -1.726 -3.583 1.00 4.07 H new ATOM 0 HG3 ARG B 22 18.283 -0.079 -4.178 1.00 4.07 H new ATOM 0 HD2 ARG B 22 19.311 -1.013 -1.470 1.00 4.20 H new ATOM 0 HD3 ARG B 22 20.255 -0.324 -2.776 1.00 4.20 H new ATOM 0 HE ARG B 22 18.106 1.262 -1.410 1.00 4.64 H new ATOM 0 HH11 ARG B 22 21.496 0.875 -2.379 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.910 2.542 -1.968 1.00 4.70 H new ATOM 0 HH21 ARG B 22 18.655 3.399 -0.935 1.00 5.40 H new ATOM 0 HH22 ARG B 22 20.316 3.959 -1.158 1.00 5.40 H new ATOM 1305 N VAL B 23 16.778 -3.686 -3.137 1.00 3.17 N ATOM 1306 CA VAL B 23 17.408 -4.890 -3.621 1.00 3.05 C ATOM 1307 C VAL B 23 16.435 -5.656 -4.510 1.00 3.00 C ATOM 1308 O VAL B 23 16.756 -6.026 -5.637 1.00 3.18 O ATOM 1309 CB VAL B 23 17.839 -5.771 -2.426 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.397 -7.098 -2.884 1.00 2.66 C ATOM 1311 CG2 VAL B 23 18.839 -5.046 -1.539 1.00 2.87 C ATOM 0 H VAL B 23 16.628 -3.681 -2.128 1.00 3.17 H new ATOM 0 HA VAL B 23 18.291 -4.626 -4.203 1.00 3.05 H new ATOM 0 HB VAL B 23 16.944 -5.972 -1.837 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.689 -7.689 -2.016 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.637 -7.636 -3.451 1.00 2.66 H new ATOM 0 HG13 VAL B 23 19.268 -6.928 -3.516 1.00 2.66 H new ATOM 0 HG21 VAL B 23 19.123 -5.691 -0.708 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.725 -4.793 -2.121 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.387 -4.133 -1.152 1.00 2.87 H new ATOM 1321 N VAL B 24 15.237 -5.859 -3.985 1.00 2.81 N ATOM 1322 CA VAL B 24 14.171 -6.566 -4.682 1.00 2.77 C ATOM 1323 C VAL B 24 13.677 -5.805 -5.917 1.00 3.04 C ATOM 1324 O VAL B 24 13.134 -6.404 -6.847 1.00 3.12 O ATOM 1325 CB VAL B 24 12.987 -6.847 -3.711 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.662 -6.980 -4.450 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.259 -8.104 -2.892 1.00 2.32 C ATOM 0 H VAL B 24 14.974 -5.535 -3.054 1.00 2.81 H new ATOM 0 HA VAL B 24 14.585 -7.512 -5.032 1.00 2.77 H new ATOM 0 HB VAL B 24 12.906 -5.991 -3.041 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.864 -7.176 -3.734 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.450 -6.055 -4.986 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.723 -7.805 -5.160 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.422 -8.287 -2.218 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.379 -8.956 -3.562 1.00 2.32 H new ATOM 0 HG23 VAL B 24 14.171 -7.969 -2.310 1.00 2.32 H new ATOM 1480 N ARG B 35 22.808 -8.094 -0.047 1.00 2.50 N ATOM 1481 CA ARG B 35 21.996 -8.901 -0.945 1.00 2.44 C ATOM 1482 C ARG B 35 21.844 -10.319 -0.414 1.00 2.25 C ATOM 1483 O ARG B 35 20.761 -10.892 -0.446 1.00 2.20 O ATOM 1484 CB ARG B 35 22.613 -8.945 -2.348 1.00 2.67 C ATOM 1485 CG ARG B 35 22.464 -7.649 -3.128 1.00 2.98 C ATOM 1486 CD ARG B 35 22.774 -7.843 -4.608 1.00 3.19 C ATOM 1487 NE ARG B 35 24.178 -8.190 -4.848 1.00 3.34 N ATOM 1488 CZ ARG B 35 24.955 -7.588 -5.757 1.00 3.60 C ATOM 1489 NH1 ARG B 35 24.481 -6.585 -6.489 1.00 3.81 N ATOM 1490 NH2 ARG B 35 26.208 -7.987 -5.936 1.00 3.91 N ATOM 0 HA ARG B 35 21.012 -8.437 -1.003 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.673 -9.185 -2.261 1.00 2.67 H new ATOM 0 HB3 ARG B 35 22.149 -9.753 -2.913 1.00 2.67 H new ATOM 0 HG2 ARG B 35 21.448 -7.271 -3.015 1.00 2.98 H new ATOM 0 HG3 ARG B 35 23.132 -6.895 -2.712 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.135 -8.630 -5.009 1.00 3.19 H new ATOM 0 HD3 ARG B 35 22.532 -6.928 -5.149 1.00 3.19 H new ATOM 0 HE ARG B 35 24.589 -8.937 -4.287 1.00 3.34 H new ATOM 0 HH11 ARG B 35 23.520 -6.269 -6.360 1.00 3.81 H new ATOM 0 HH12 ARG B 35 25.079 -6.131 -7.180 1.00 3.81 H new ATOM 0 HH21 ARG B 35 26.583 -8.755 -5.380 1.00 3.91 H new ATOM 0 HH22 ARG B 35 26.796 -7.525 -6.630 1.00 3.91 H new ATOM 1504 N GLU B 36 22.933 -10.850 0.107 1.00 2.21 N ATOM 1505 CA GLU B 36 22.958 -12.203 0.636 1.00 2.13 C ATOM 1506 C GLU B 36 22.093 -12.326 1.886 1.00 2.03 C ATOM 1507 O GLU B 36 21.471 -13.357 2.120 1.00 2.06 O ATOM 1508 CB GLU B 36 24.400 -12.611 0.941 1.00 2.14 C ATOM 1509 CG GLU B 36 25.382 -12.239 -0.162 1.00 2.40 C ATOM 1510 CD GLU B 36 25.364 -13.210 -1.334 1.00 2.61 C ATOM 1511 OE1 GLU B 36 24.848 -14.337 -1.172 1.00 2.82 O ATOM 1512 OE2 GLU B 36 25.882 -12.854 -2.416 1.00 2.94 O ATOM 0 H GLU B 36 23.824 -10.359 0.176 1.00 2.21 H new ATOM 0 HA GLU B 36 22.546 -12.874 -0.117 1.00 2.13 H new ATOM 0 HB2 GLU B 36 24.714 -12.138 1.871 1.00 2.14 H new ATOM 0 HB3 GLU B 36 24.438 -13.688 1.103 1.00 2.14 H new ATOM 0 HG2 GLU B 36 25.149 -11.238 -0.525 1.00 2.40 H new ATOM 0 HG3 GLU B 36 26.389 -12.201 0.254 1.00 2.40 H new ATOM 1519 N LYS B 37 22.041 -11.263 2.679 1.00 2.03 N ATOM 1520 CA LYS B 37 21.256 -11.268 3.906 1.00 2.06 C ATOM 1521 C LYS B 37 19.778 -11.092 3.600 1.00 2.07 C ATOM 1522 O LYS B 37 18.935 -11.766 4.192 1.00 2.14 O ATOM 1523 CB LYS B 37 21.739 -10.178 4.862 1.00 2.19 C ATOM 1524 CG LYS B 37 22.644 -10.703 5.968 1.00 2.53 C ATOM 1525 CD LYS B 37 23.695 -9.681 6.371 1.00 2.52 C ATOM 1526 CE LYS B 37 23.071 -8.432 6.970 1.00 2.77 C ATOM 1527 NZ LYS B 37 22.499 -8.684 8.322 1.00 3.10 N ATOM 0 H LYS B 37 22.532 -10.388 2.495 1.00 2.03 H new ATOM 0 HA LYS B 37 21.393 -12.234 4.391 1.00 2.06 H new ATOM 0 HB2 LYS B 37 22.275 -9.418 4.294 1.00 2.19 H new ATOM 0 HB3 LYS B 37 20.874 -9.689 5.311 1.00 2.19 H new ATOM 0 HG2 LYS B 37 22.041 -10.966 6.837 1.00 2.53 H new ATOM 0 HG3 LYS B 37 23.135 -11.616 5.633 1.00 2.53 H new ATOM 0 HD2 LYS B 37 24.378 -10.128 7.094 1.00 2.52 H new ATOM 0 HD3 LYS B 37 24.289 -9.408 5.499 1.00 2.52 H new ATOM 0 HE2 LYS B 37 23.824 -7.647 7.036 1.00 2.77 H new ATOM 0 HE3 LYS B 37 22.287 -8.066 6.308 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 22.844 -7.961 8.985 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 21.461 -8.642 8.273 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 22.792 -9.625 8.653 1.00 3.10 H new ATOM 1541 N VAL B 38 19.460 -10.192 2.677 1.00 2.07 N ATOM 1542 CA VAL B 38 18.071 -9.959 2.304 1.00 2.08 C ATOM 1543 C VAL B 38 17.521 -11.186 1.575 1.00 2.04 C ATOM 1544 O VAL B 38 16.416 -11.643 1.866 1.00 2.07 O ATOM 1545 CB VAL B 38 17.911 -8.692 1.444 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.710 -7.545 2.045 1.00 2.33 C ATOM 1547 CG2 VAL B 38 18.315 -8.931 0.007 1.00 2.21 C ATOM 0 H VAL B 38 20.138 -9.617 2.177 1.00 2.07 H new ATOM 0 HA VAL B 38 17.497 -9.796 3.216 1.00 2.08 H new ATOM 0 HB VAL B 38 16.854 -8.424 1.440 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.589 -6.655 1.428 1.00 2.33 H new ATOM 0 HG12 VAL B 38 18.350 -7.340 3.053 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.765 -7.818 2.085 1.00 2.33 H new ATOM 0 HG21 VAL B 38 18.187 -8.012 -0.565 1.00 2.21 H new ATOM 0 HG22 VAL B 38 19.360 -9.239 -0.031 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.690 -9.715 -0.421 1.00 2.21 H new ATOM 1557 N GLU B 39 18.307 -11.718 0.640 1.00 2.06 N ATOM 1558 CA GLU B 39 17.921 -12.910 -0.100 1.00 2.17 C ATOM 1559 C GLU B 39 17.768 -14.068 0.866 1.00 2.25 C ATOM 1560 O GLU B 39 16.875 -14.894 0.709 1.00 2.39 O ATOM 1561 CB GLU B 39 18.925 -13.247 -1.209 1.00 2.31 C ATOM 1562 CG GLU B 39 18.581 -12.592 -2.541 1.00 2.51 C ATOM 1563 CD GLU B 39 19.289 -13.230 -3.726 1.00 2.75 C ATOM 1564 OE1 GLU B 39 18.875 -14.333 -4.152 1.00 2.96 O ATOM 1565 OE2 GLU B 39 20.275 -12.639 -4.224 1.00 3.00 O ATOM 0 H GLU B 39 19.217 -11.338 0.379 1.00 2.06 H new ATOM 0 HA GLU B 39 16.967 -12.718 -0.592 1.00 2.17 H new ATOM 0 HB2 GLU B 39 19.920 -12.928 -0.900 1.00 2.31 H new ATOM 0 HB3 GLU B 39 18.963 -14.328 -1.341 1.00 2.31 H new ATOM 0 HG2 GLU B 39 17.504 -12.647 -2.698 1.00 2.51 H new ATOM 0 HG3 GLU B 39 18.843 -11.535 -2.496 1.00 2.51 H new ATOM 1572 N ALA B 40 18.641 -14.127 1.873 1.00 2.22 N ATOM 1573 CA ALA B 40 18.532 -15.168 2.881 1.00 2.38 C ATOM 1574 C ALA B 40 17.218 -15.004 3.603 1.00 2.45 C ATOM 1575 O ALA B 40 16.407 -15.920 3.645 1.00 2.65 O ATOM 1576 CB ALA B 40 19.658 -15.110 3.897 1.00 2.37 C ATOM 0 H ALA B 40 19.416 -13.477 2.007 1.00 2.22 H new ATOM 0 HA ALA B 40 18.593 -16.131 2.374 1.00 2.38 H new ATOM 0 HB1 ALA B 40 19.530 -15.909 4.628 1.00 2.37 H new ATOM 0 HB2 ALA B 40 20.614 -15.234 3.388 1.00 2.37 H new ATOM 0 HB3 ALA B 40 19.640 -14.146 4.406 1.00 2.37 H new ATOM 1582 N ALA B 41 17.003 -13.808 4.140 1.00 2.34 N ATOM 1583 CA ALA B 41 15.795 -13.505 4.875 1.00 2.45 C ATOM 1584 C ALA B 41 14.531 -13.872 4.108 1.00 2.47 C ATOM 1585 O ALA B 41 13.673 -14.581 4.628 1.00 2.68 O ATOM 1586 CB ALA B 41 15.781 -12.040 5.218 1.00 2.39 C ATOM 0 H ALA B 41 17.660 -13.031 4.075 1.00 2.34 H new ATOM 0 HA ALA B 41 15.799 -14.110 5.782 1.00 2.45 H new ATOM 0 HB1 ALA B 41 14.872 -11.805 5.772 1.00 2.39 H new ATOM 0 HB2 ALA B 41 16.651 -11.801 5.829 1.00 2.39 H new ATOM 0 HB3 ALA B 41 15.809 -11.451 4.301 1.00 2.39 H new ATOM 1592 N MET B 42 14.425 -13.416 2.869 1.00 2.31 N ATOM 1593 CA MET B 42 13.254 -13.713 2.058 1.00 2.35 C ATOM 1594 C MET B 42 13.159 -15.208 1.792 1.00 2.59 C ATOM 1595 O MET B 42 12.073 -15.752 1.689 1.00 2.74 O ATOM 1596 CB MET B 42 13.239 -12.924 0.744 1.00 2.21 C ATOM 1597 CG MET B 42 14.461 -13.117 -0.120 1.00 2.23 C ATOM 1598 SD MET B 42 14.523 -11.936 -1.471 1.00 2.21 S ATOM 1599 CE MET B 42 14.529 -10.425 -0.519 1.00 2.06 C ATOM 0 H MET B 42 15.130 -12.843 2.406 1.00 2.31 H new ATOM 0 HA MET B 42 12.378 -13.398 2.625 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.357 -13.213 0.172 1.00 2.21 H new ATOM 0 HB3 MET B 42 13.137 -11.863 0.974 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.357 -13.015 0.492 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.464 -14.130 -0.523 1.00 2.23 H new ATOM 0 HE1 MET B 42 15.104 -9.665 -1.047 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.505 -10.076 -0.383 1.00 2.06 H new ATOM 0 HE3 MET B 42 14.981 -10.611 0.455 1.00 2.06 H new ATOM 1609 N ALA B 43 14.309 -15.872 1.698 1.00 2.65 N ATOM 1610 CA ALA B 43 14.339 -17.301 1.405 1.00 2.94 C ATOM 1611 C ALA B 43 13.843 -18.112 2.590 1.00 3.17 C ATOM 1612 O ALA B 43 13.048 -19.040 2.437 1.00 3.43 O ATOM 1613 CB ALA B 43 15.740 -17.744 1.011 1.00 2.97 C ATOM 0 H ALA B 43 15.227 -15.445 1.820 1.00 2.65 H new ATOM 0 HA ALA B 43 13.670 -17.481 0.563 1.00 2.94 H new ATOM 0 HB1 ALA B 43 15.737 -18.813 0.797 1.00 2.97 H new ATOM 0 HB2 ALA B 43 16.058 -17.197 0.123 1.00 2.97 H new ATOM 0 HB3 ALA B 43 16.430 -17.540 1.830 1.00 2.97 H new ATOM 1619 N GLU B 44 14.312 -17.746 3.774 1.00 3.13 N ATOM 1620 CA GLU B 44 13.933 -18.440 4.997 1.00 3.41 C ATOM 1621 C GLU B 44 12.469 -18.205 5.305 1.00 3.51 C ATOM 1622 O GLU B 44 11.740 -19.125 5.679 1.00 3.81 O ATOM 1623 CB GLU B 44 14.784 -17.950 6.159 1.00 3.38 C ATOM 1624 CG GLU B 44 16.249 -17.787 5.813 1.00 3.23 C ATOM 1625 CD GLU B 44 17.178 -18.482 6.795 1.00 3.42 C ATOM 1626 OE1 GLU B 44 17.331 -19.721 6.713 1.00 3.57 O ATOM 1627 OE2 GLU B 44 17.756 -17.790 7.660 1.00 3.67 O ATOM 0 H GLU B 44 14.958 -16.969 3.914 1.00 3.13 H new ATOM 0 HA GLU B 44 14.098 -19.508 4.854 1.00 3.41 H new ATOM 0 HB2 GLU B 44 14.393 -16.994 6.506 1.00 3.38 H new ATOM 0 HB3 GLU B 44 14.691 -18.652 6.987 1.00 3.38 H new ATOM 0 HG2 GLU B 44 16.426 -18.183 4.813 1.00 3.23 H new ATOM 0 HG3 GLU B 44 16.492 -16.725 5.782 1.00 3.23 H new ATOM 1634 N LEU B 45 12.043 -16.961 5.149 1.00 3.28 N ATOM 1635 CA LEU B 45 10.651 -16.597 5.401 1.00 3.36 C ATOM 1636 C LEU B 45 9.773 -16.957 4.206 1.00 3.35 C ATOM 1637 O LEU B 45 8.569 -16.696 4.216 1.00 3.40 O ATOM 1638 CB LEU B 45 10.521 -15.097 5.687 1.00 3.17 C ATOM 1639 CG LEU B 45 11.559 -14.504 6.640 1.00 3.15 C ATOM 1640 CD1 LEU B 45 11.125 -13.121 7.098 1.00 3.11 C ATOM 1641 CD2 LEU B 45 11.800 -15.426 7.828 1.00 3.47 C ATOM 0 H LEU B 45 12.636 -16.187 4.850 1.00 3.28 H new ATOM 0 HA LEU B 45 10.318 -17.158 6.275 1.00 3.36 H new ATOM 0 HB2 LEU B 45 10.578 -14.560 4.740 1.00 3.17 H new ATOM 0 HB3 LEU B 45 9.530 -14.911 6.100 1.00 3.17 H new ATOM 0 HG LEU B 45 12.503 -14.406 6.104 1.00 3.15 H new ATOM 0 HD11 LEU B 45 11.873 -12.711 7.776 1.00 3.11 H new ATOM 0 HD12 LEU B 45 11.022 -12.467 6.232 1.00 3.11 H new ATOM 0 HD13 LEU B 45 10.168 -13.193 7.615 1.00 3.11 H new ATOM 0 HD21 LEU B 45 12.542 -14.980 8.490 1.00 3.47 H new ATOM 0 HD22 LEU B 45 10.867 -15.569 8.373 1.00 3.47 H new ATOM 0 HD23 LEU B 45 12.163 -16.390 7.472 1.00 3.47 H new